SCHEMBL7970274

SCHEMBL7970274

CCCOc1nc(N(C)Cc2ccccc2)c2nc(OCCC)nc(N(C)Cc3ccccc3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.42
PDE5A O76074 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CSF1R P07333 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PIK3CD O00329 1/20 0.39
PIK3R1 P27986 1/20 0.39
HTT P42858 1/20 0.39
HIF1A Q16665 1/20 0.39
RAB9A P51151 1/20 0.39
RPS6KB1 P23443 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7973381 0.87 TLR7 (0.46) TLR7PDE5AALDH1A1HPGDCSF1R
SCHEMBL7971383 0.87 PDE5A (0.44) PDE5AALDH1A1HPGDCSF1RMETAP2
Hydrochloric Acid SCHEMBL19743586 0.65 CSF1R (0.42) PDE5AHPGDCSF1RMETAP2METAP1
SCHEMBL738161 0.64 TSHR (0.50) ALDH1A1POLBLMNASMN1; SMN2RAB9A
SCHEMBL9418725 0.64 TSHR (0.45) ALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL9379285 0.64 PDE5A (0.52) PDE5AALDH1A1CSF1RMETAP2METAP1
SCHEMBL12889093 0.63 ALDH1A1 (0.54) PDE5AALDH1A1CSF1RMETAP2METAP1
SCHEMBL632364 0.63 PDE10A (0.39) TLR7ALDH1A1HPGDPOLBLMNA
SCHEMBL18485898 0.63 RAB9A (0.54) PDE5AALDH1A1CSF1RMETAP2METAP1
SCHEMBL25069881 0.62 TSHR (0.46) ALDH1A1LMNAHTR1DHTR1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6297250-B1 USEFUL FOR INHIBITING TRANSPORT OF NUCLEOSIDES OR PURINES ACROSS CELL MEMBRANES, THEREBY TO POTENTIATE THE ACTIVITY OF VARIOUS CYTOTOXIC ANTITUMOR DRUGS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 2001-10-02 US claimed
US-20240166770-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF CELL-PENETRATING ANTIBODIES YALE UNIVERSITY 2024-05-23 US disclosed
US-6297250-B1 USEFUL FOR INHIBITING TRANSPORT OF NUCLEOSIDES OR PURINES ACROSS CELL MEMBRANES, THEREBY TO POTENTIATE THE ACTIVITY OF VARIOUS CYTOTOXIC ANTITUMOR DRUGS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 2001-10-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240166770-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF CELL-PENETRATING ANTIBODIES SLC29A1, SLC29A2, SLC7A1 TLR7 274/4885PDE5A 521/4885ALDH1A1 2004/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.